Information card for entry 4028439

Structure parameters

• Formula: C31 H43 N O6 S Si
• Calculated formula: C31 H43 N O6 S Si
• SMILES: S(=O)(=O)(N[C@@H]([C@@H](c1c(OC)cc(OC)cc1OC)c1ccccc1)CO[Si](C)(C)C(C)(C)C)c1ccc(cc1)C.S(=O)(=O)(N[C@H]([C@H](c1c(OC)cc(OC)cc1OC)c1ccccc1)CO[Si](C)(C)C(C)(C)C)c1ccc(cc1)C
• Title of publication: Lewis Acid Catalyzed SN2-Type Ring Opening of N-Activated Aziridines with Electron-Rich Arenes/Heteroarenes
• Authors of publication: Manas K. Ghorai; Deo Prakash Tiwari; Nikita Jain
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7121 - 7130
• a: 11.473 ± 0.007 Å
• b: 13.103 ± 0.005 Å
• c: 13.176 ± 0.006 Å
• α: 60.725 ± 0.004°
• β: 77.663 ± 0.006°
• γ: 73.088 ± 0.005°
• Cell volume: 1647 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2721
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No